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Acetic Acid

Acetic Acid

SCHEMBL29697246

CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 13/20 0.75
▸ ABCB11 O95342 1/20 0.76
▸ DRD1 P21728 1/20 0.75
▸ OPRM1 P35372 1/20 0.75
▸ MRGPRX2 Q96LB1 1/20 0.75

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cetrorelix SCHEMBL1462430 0.92 ABCB11 (0.90) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL6149471 0.92 ABCB11 (0.90) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL31410929 0.92 ABCB11 (0.90) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL61332 0.92 ABCB11 (0.90) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL31410928 0.92 ABCB11 (0.90) ABCB11GNRHRDRD1OPRM1MRGPRX2
SCHEMBL23310424 0.92 GNRHR (0.84) ABCB11GNRHRDRD1OPRM1MRGPRX2
SCHEMBL24434335 0.92 GNRHR (0.84) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL22391501 0.91 ABCB11 (0.88) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL24040283 0.91 GNRHR (0.89) ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL24040297 0.91 GNRHR (0.89) ABCB11GNRHRDRD1OPRM1MRGPRX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115856156-A Method for determining enantiomer of polypeptide protected amino acid 南京锐志生物医药有限公司 2023-03-28 — — CN disclosed
CN-115541733-A Method for measuring protected amino acid enantiomer by reverse phase chromatography 南京锐志生物医药有限公司 2022-12-30 — — CN disclosed
CN-115541734-A Method for determining protected amino acid enantiomer by normal phase chromatography 南京锐志生物医药有限公司 2022-12-30 — — CN disclosed
CN-115541731-A Analysis method for protecting enantiomer of amino acid 南京锐志生物医药有限公司 2022-12-30 — — CN disclosed
CN-115541730-A Method for measuring protected amino acid enantiomer 南京锐志生物医药有限公司 2022-12-30 — — CN disclosed
CN-114624366-B Method for detecting cetrorelix acetate polymer impurities 南京瑞克卫生物医药有限公司 2022-07-26 — — CN disclosed
CN-114624366-A Method for detecting cetrorelix acetate polymer impurities 南京瑞克卫生物医药有限公司 2022-06-14 — — CN disclosed
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